Information card for entry 7234295

Structure parameters

• Formula: C42 H28 Cl3 N3 O2
• Calculated formula: C42 H28 Cl3 N3 O2
• SMILES: ClC(Cl)Cl.O=C1N(C)C(=O)C(=C1c1ccc(n2c3ccccc3c3ccccc23)cc1)c1ccc(n2c3ccccc3c3ccccc23)cc1
• Title of publication: A A-shaped donor-pi-acceptor-pi-donor molecule with AIEE and CIEE activity and sequential logic gate behaviour
• Authors of publication: Xiaofei Mei; Guixiu Wen; Jingwei Wang; Huimei Yao; Yan Zhao; Zhenghuan Lin; Qidan Ling
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2015
• Journal volume: 3
• Pages of publication: 7267 - 7271
• a: 9.0205 ± 0.0003 Å
• b: 10.9629 ± 0.0003 Å
• c: 17.9974 ± 0.0006 Å
• α: 78.085 ± 0.003°
• β: 82.277 ± 0.003°
• γ: 80.414 ± 0.003°
• Cell volume: 1707.87 ± 0.1 ų
• Cell temperature: 284 ± 2 K
• Ambient diffraction temperature: 284 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.144
• Weighted residual factors for all reflections included in the refinement: 0.153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No